CCOC(Cc1ccc(OCc2nc(C(C)(C)C)oc2C)c2ccsc12)C(=O)O
SMILES: CCOC(Cc1ccc(OCc2nc(C(C)(C)C)oc2C)c2ccsc12)C(=O)O

Molecular Processing

Molecular formula
C22H27NO5S
Molecular weight
417.53
Exact mass
417.161
XLogP
5.11
TPSA
81.79
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
112.85

Supplementary Information

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